SCHEMBL6594791

SCHEMBL6594791

Cc1oc(-c2ccccc2)nc1COc1ccc(Cn2cc(C=CC(=O)O)c(-c3ccccn3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
PPARG P37231 15/20 0.50
PPARA Q07869 14/20 0.50
KDR P35968 1/20 0.44
PPARD Q03181 3/20 0.43
MAPT P10636 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6594785 1.00 FFAR1 (0.54) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5372001 0.92 FFAR1 (0.51) FFAR1PPARGPPARAKDRMAPT
SCHEMBL5374677 0.92 FFAR1 (0.59) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5374673 0.92 FFAR1 (0.59) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5376753 0.90 FFAR1 (0.52) FFAR1PPARGPPARAKDRMAPT
SCHEMBL5372006 0.88 FFAR1 (0.51) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5381909 0.85 FFAR1 (0.52) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5377238 0.85 FFAR1 (0.65) FFAR1PPARGPPARAPPARD
SCHEMBL5384912 0.85 FFAR1 (0.53) FFAR1PPARGPPARAKDR
SCHEMBL7544291 0.84 FFAR1 (0.51) FFAR1PPARGPPARAKDRMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed